X5J4V2_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4V2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 95 aa.

						>X5J4V2_MOUSE|X5J4V2
ERVKPGASVKLSCKASGYTFTSYYMYWVKQRPGQGLEWIGEINPSNGGTNFNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCTRGGYGSS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	60.9	Low	86.1	Confident	205 Å²	205	104.9 Å²	104.9	96%	0.958	55%	0.545	S	S	*	.				0	141.2	0	-165.6	173.3	145	0	0	109.2	V3	E1-V3 HydrophobicContact CG-CG1 4.22Å
2	R	75.4	Confident	87.1	Confident	256 Å²	256	103.3 Å²	103.3	97%	0.966	55%	0.549	S	S	*	.			trans	-94.4	117.8	171.6	-72.7	-172.1	176.8	-155.1	0	108
3	V	80.8	Confident	87.9	Confident	59 Å²	59	96.4 Å²	96.4	36%	0.358	51%	0.514	S	S	.	.			trans	-113.8	150.2	-175.3	-68.3	0	0	0	0	110.7	E1 V9 L77	E1-V3 HydrophobicContact CG-CG1 4.22Å; V3-V9 HydrophobicContact CG1-CB 4.35Å; V3-V9 HydrophobicContact CG1-CG2 4.29Å; V3-L77 HydrophobicContact CB-CD1 4.26Å; V3-L77 HydrophobicContact CG2-CD1 3.51Å
4	K	82.8	Confident	88.6	Confident	172 Å²	172	100.8 Å²	100.8	75%	0.748	53%	0.526	S	S	*	.			trans	-75	147.4	177.4	-65.1	-179.3	-179	178.8	0	110.1	A7	K4-A7 WeakPolarHBondContact O-CB 3.36Å; K4-A7 PolarHBondContact O-N 3.27Å; K4-A7 VanDerWaalsContact O-N 3.11Å
5	P	85.1	Confident	89	Confident	117 Å²	117	94.8 Å²	94.8	76%	0.76	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	142	168.7	-24.3	34.1	0	0	0	111.4	A7 L77	P5-A7 PolarHBondContact O-N 3.29Å; P5-L77 CarbonylContact C-O 3.55Å; P5-L77 WeakPolarHBondContact CA-O 3.44Å
6	G	87.3	Confident	89.4	Confident	53 Å²	53	95.1 Å²	95.1	55%	0.546	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-11.6	-175.7	0	0	0	0	0	114.9	L77	G6-L77 PolarHBondContact N-O 2.98Å
7	A	91.9	Very high	89.7	Confident	35 Å²	35	94.9 Å²	94.9	29%	0.289	54%	0.535	S	S	.	.			trans	-70.2	166.6	175.6	0	0	0	0	0	111.6	K4 P5 S76 L77	K4-A7 WeakPolarHBondContact O-CB 3.36Å; K4-A7 PolarHBondContact O-N 3.27Å; K4-A7 VanDerWaalsContact O-N 3.11Å; P5-A7 PolarHBondContact O-N 3.29Å; A7-S76 PolarHBondContact O-N 3.03Å; A7-L77 WeakPolarHBondContact O-CB 3.41Å; A7-L77 VanDerWaalsContact O-CG 3.26Å; A7-L77 WeakPolarHBondContact O-CG 3.4Å; A7-L77 PolarHBondContact O-N 3.1Å
8	S	94.3	Very high	89.7	Confident	65 Å²	65	93.1 Å²	93.1	46%	0.455	52%	0.519	S	S	.	.			trans	-108.7	148	167.8	-57.7	0	0	0	0	109.9	L74 S75	S8-L74 CarbonylContact C-O 3.59Å; S8-L74 WeakPolarHBondContact CA-O 3.3Å; S8-L74 WeakPolarHBondContact CB-O 3.46Å; S8-S75 WeakPolarHBondContact OG-CA 3.32Å
9	V	95.1	Very high	90	Very high	21 Å²	21	92.8 Å²	92.8	13%	0.127	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.4	173.2	71.8	0	0	0	0	109.8	V3 L11 Q73 L74 L77	V3-V9 HydrophobicContact CG1-CB 4.35Å; V3-V9 HydrophobicContact CG1-CG2 4.29Å; V9-L11 HydrophobicContact CG2-CD2 4.42Å; V9-Q73 CarbonylContact O-C 3.57Å; V9-Q73 VanDerWaalsContact O-CA 3.3Å; V9-Q73 WeakPolarHBondContact O-CA 3.48Å; V9-L74 HydrophobicContact CG1-CB 4.18Å; V9-L74 PolarHBondContact N-O 2.82Å; V9-L74 PolarHBondContact O-N 3.05Å; V9-L77 HydrophobicContact CB-CD1 3.99Å; V9-L77 HydrophobicContact CG1-CD1 3.77Å
10	K	96.8	Very high	90.2	Very high	121 Å²	121	88.6 Å²	88.6	53%	0.526	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.1	173.1	-173.4	176	179.7	178.8	0	109.4	Y71 M72	K10-Y71 HydrophobicContact CD-CD1 4.37Å; K10-Y71 VanDerWaalsContact CE-CD1 3.4Å; K10-Y71 VanDerWaalsContact CE-CG 3.48Å; K10-Y71 HydrophobicContact CG-CD1 4.32Å; K10-M72 WeakPolarHBondContact CA-O 3.43Å
11	L	97.3	Very high	90.4	Very high	50 Å²	50	86.9 Å²	86.9	26%	0.262	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.7	174.9	-59.8	174	0	0	0	109.3	V9 W27 Y71 M72 Y85	V9-L11 HydrophobicContact CG2-CD2 4.42Å; L11-W27 HydrophobicContact CB-CH2 4.02Å; L11-W27 HydrophobicContact CB-CZ3 3.89Å; L11-W27 HydrophobicContact CD1-CZ3 4.45Å; L11-Y71 CarbonylContact O-C 3.56Å; L11-Y71 WeakPolarHBondContact O-CA 3.4Å; L11-M72 HydrophobicContact CD1-CE 3.65Å; L11-M72 PolarHBondContact N-O 2.86Å; L11-M72 PolarHBondContact O-N 2.81Å; L11-Y85 HydrophobicContact CD1-CD1 4.31Å; L11-Y85 HydrophobicContact CD1-CD2 4.19Å; L11-Y85 HydrophobicContact CD1-CG 3.82Å
12	S	97.8	Very high	92	Very high	85 Å²	85	79.8 Å²	79.8	59%	0.594	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.6	176.9	62	0	0	0	0	110.9	A70 Y71	S12-A70 CarbonylContact C-O 3.59Å; S12-Y71 VanDerWaalsContact CB-CE1 3.47Å
13	C	97.6	Very high	92.8	Very high	14 Å²	14	71.1 Å²	71.1	10%	0.095	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	102.4	176.3	-180	0	0	0	0	108.8	W27 T69 A70 C87	C13-W27 HydrophobicContact CB-CH2 3.8Å; C13-W27 HydrophobicContact CB-CZ2 3.92Å; C13-T69 CarbonylContact O-C 3.58Å; C13-T69 WeakPolarHBondContact O-CA 3.49Å; C13-A70 HydrophobicContact CB-CB 4.47Å; C13-A70 PolarHBondContact N-O 3.24Å; C13-A70 PolarHBondContact O-N 2.93Å; C13-C87 HydrophobicContact CB-CB 3.5Å; C13-C87 VanDerWaalsContact CB-CB 3.5Å; C13-C87 WeakPolarHBondContact CB-SG 3.41Å; C13-C87 WeakPolarHBondContact SG-CB 3.39Å; C13-C87 CovalentContact SG-SG 2.01Å; C13-C87 PolarHBondContact SG-SG 3.44Å
14	K	97.3	Very high	93.5	Very high	158 Å²	158	70.8 Å²	70.8	69%	0.687	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.5	-179.8	-173.4	173.7	-176.4	179	0	110.1	T69	K14-T69 HydrophobicContact CB-CG2 4.49Å
15	A	95.3	Very high	94.2	Very high	11 Å²	11	62.7 Å²	62.7	9%	0.091	39%	0.386	C	S	.	.			trans	-79.9	148.3	174.7	0	0	0	0	0	111.3	Y18 F20 S68	A15-Y18 HydrophobicContact CB-CE1 3.95Å; A15-Y18 HydrophobicContact CB-CE2 4.09Å; A15-Y18 VanDerWaalsContact CB-CZ 3.46Å; A15-Y18 WeakPolarHBondContact CB-OH 3.44Å; A15-F20 HydrophobicContact CB-CB 4.35Å; A15-F20 HydrophobicContact CB-CD2 3.37Å; A15-F20 HydrophobicContact CB-CE2 3.94Å; A15-F20 HydrophobicContact CB-CG 4.15Å; A15-S68 WeakPolarHBondContact CB-O 3.49Å; A15-S68 PolarHBondContact N-O 2.97Å
16	S	94.5	Very high	94.8	Very high	100 Å²	100	59.3 Å²	59.3	70%	0.699	36%	0.359	S	S	*	.			trans	-151.8	153	173	62.5	0	0	0	0	110.6	Y18	S16-Y18 WeakPolarHBondContact O-CD1 3.46Å; S16-Y18 WeakPolarHBondContact O-CE1 3.5Å
17	G	94.1	Very high	95.3	Very high	91 Å²	91	57.1 Å²	57.1	94%	0.938	33%	0.334	S	S	*	.	S	Bend	trans	79.2	11.9	176.8	0	0	0	0	0	115.9
18	Y	90.9	Very high	95.5	Very high	63 Å²	63	56.3 Å²	56.3	25%	0.247	33%	0.325	C	S	.	.	S	Bend	trans	-160.2	166.4	175.3	61.9	-87.2	0	0	0	112.2	A15 S16 F20 Y23 R89	A15-Y18 HydrophobicContact CB-CE1 3.95Å; A15-Y18 HydrophobicContact CB-CE2 4.09Å; A15-Y18 VanDerWaalsContact CB-CZ 3.46Å; A15-Y18 WeakPolarHBondContact CB-OH 3.44Å; S16-Y18 WeakPolarHBondContact O-CD1 3.46Å; S16-Y18 WeakPolarHBondContact O-CE1 3.5Å; Y18-F20 HydrophobicContact CE2-CD2 4.46Å; Y18-F20 PolarHBondContact O-N 3.12Å; Y18-F20 VanDerWaalsContact O-N 3.1Å; Y18-Y23 AromaticContact CD2-CD2 3.55Å; Y18-Y23 HydrophobicContact CD2-CD2 3.55Å; Y18-Y23 AromaticContact CD2-CE2 3.84Å; Y18-Y23 HydrophobicContact CD2-CE2 3.84Å; Y18-Y23 AromaticContact CE2-CD2 3.9Å; Y18-Y23 HydrophobicContact CE2-CD2 3.9Å; Y18-Y23 HydrophobicContact CG-CD2 4.48Å; Y18-Y23 HydrophobicContact CG-CE2 4.38Å; Y18-R89 HydrophobicContact CE2-CG 4.19Å
19	T	94.4	Very high	95.6	Very high	88 Å²	88	53.2 Å²	53.2	54%	0.54	30%	0.304	S	S	.	.			trans	-69.2	102.5	171.4	-55.2	0	0	0	0	110.1	T21 S22	T19-T21 PolarHBondContact O-N 3.25Å; T19-T21 VanDerWaalsContact O-N 3.13Å; T19-S22 WeakPolarHBondContact CB-OG 3.24Å; T19-S22 WeakPolarHBondContact CG2-OG 2.97Å; T19-S22 WeakPolarHBondContact O-CB 3.14Å; T19-S22 PolarHBondContact O-N 2.81Å
20	F	94.7	Very high	95.6	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.031	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-52.9	-37.1	-174.1	177.9	-125.4	0	0	0	113.9	A15 Y18 S22 M25 P44 V63 A70	A15-F20 HydrophobicContact CB-CB 4.35Å; A15-F20 HydrophobicContact CB-CD2 3.37Å; A15-F20 HydrophobicContact CB-CE2 3.94Å; A15-F20 HydrophobicContact CB-CG 4.15Å; Y18-F20 HydrophobicContact CE2-CD2 4.46Å; Y18-F20 PolarHBondContact O-N 3.12Å; Y18-F20 VanDerWaalsContact O-N 3.1Å; F20-S22 VanDerWaalsContact C-N 3.27Å; F20-S22 PolarHBondContact O-N 2.77Å; F20-M25 HydrophobicContact CE2-CG 3.68Å; F20-M25 HydrophobicContact CE2-SD 4.22Å; F20-M25 HydrophobicContact CZ-CG 4.33Å; F20-P44 HydrophobicContact CD1-CB 3.81Å; F20-P44 HydrophobicContact CD1-CG 4.43Å; F20-P44 HydrophobicContact CD2-CG 4.32Å; F20-P44 HydrophobicContact CE1-CB 3.53Å; F20-P44 HydrophobicContact CE1-CG 4.07Å; F20-P44 HydrophobicContact CE2-CB 4.31Å; F20-P44 HydrophobicContact CE2-CG 3.94Å; F20-P44 HydrophobicContact CG-CB 4.33Å; F20-P44 HydrophobicContact CZ-CB 3.8Å; F20-P44 HydrophobicContact CZ-CG 3.8Å; F20-V63 HydrophobicContact CE1-CB 4.3Å; F20-V63 HydrophobicContact CE1-CG1 4.33Å; F20-V63 HydrophobicContact CZ-CG1 4.1Å; F20-A70 HydrophobicContact CE2-CB 4.45Å; F20-A70 HydrophobicContact CZ-CB 4.08Å
21	T	95.3	Very high	95.5	Very high	53 Å²	53	52.2 Å²	52.2	33%	0.325	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-75	-9.8	-178.9	52.8	0	0	0	0	114.6	T19 Y23 K65	T19-T21 PolarHBondContact O-N 3.25Å; T19-T21 VanDerWaalsContact O-N 3.13Å; T21-Y23 VanDerWaalsContact C-N 3.33Å; T21-K65 HydrophobicContact CG2-CD 4.35Å
22	S	93.6	Very high	95.1	Very high	57 Å²	57	55.5 Å²	55.5	40%	0.399	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-84.4	-2.7	-178.9	-58.7	0	0	0	0	114.1	T19 F20 Y92	T19-S22 WeakPolarHBondContact CB-OG 3.24Å; T19-S22 WeakPolarHBondContact CG2-OG 2.97Å; T19-S22 WeakPolarHBondContact O-CB 3.14Å; T19-S22 PolarHBondContact O-N 2.81Å; F20-S22 VanDerWaalsContact C-N 3.27Å; F20-S22 PolarHBondContact O-N 2.77Å; S22-Y92 WeakPolarHBondContact O-CE2 3.08Å
23	Y	93.1	Very high	94.8	Very high	74 Å²	74	56 Å²	56	29%	0.29	34%	0.34	S	S	.	.	S	Bend	trans	-139.7	151.2	-174	-62.9	-88.7	0	0	0	112.2	Y18 T21 P44 R89	Y18-Y23 AromaticContact CD2-CD2 3.55Å; Y18-Y23 HydrophobicContact CD2-CD2 3.55Å; Y18-Y23 AromaticContact CD2-CE2 3.84Å; Y18-Y23 HydrophobicContact CD2-CE2 3.84Å; Y18-Y23 AromaticContact CE2-CD2 3.9Å; Y18-Y23 HydrophobicContact CE2-CD2 3.9Å; Y18-Y23 HydrophobicContact CG-CD2 4.48Å; Y18-Y23 HydrophobicContact CG-CE2 4.38Å; T21-Y23 VanDerWaalsContact C-N 3.33Å; Y23-P44 WeakPolarHBondContact O-CD 3.04Å; Y23-P44 WeakPolarHBondContact O-CG 2.84Å; Y23-R89 HydrophobicContact CD1-CG 3.74Å; Y23-R89 HydrophobicContact CD2-CG 4.2Å; Y23-R89 VanDerWaalsContact CG-CD 3.44Å; Y23-R89 HydrophobicContact CG-CG 3.5Å; Y23-R89 VanDerWaalsContact CG-CG 3.5Å
24	Y	95.3	Very high	94.5	Very high	52 Å²	52	60 Å²	60	20%	0.204	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	145.8	166.9	-75.2	-95.9	0	0	0	110.7	Y26 E41 N43 R89 G90 Y92	Y24-Y26 VanDerWaalsContact CB-CE2 3.48Å; Y24-E41 HydrophobicContact CD1-CB 4.41Å; Y24-E41 HydrophobicContact CD1-CG 4.07Å; Y24-N43 HydrophobicContact CD1-CB 3.85Å; Y24-N43 HydrophobicContact CE1-CB 3.48Å; Y24-N43 VanDerWaalsContact CE1-CB 3.48Å; Y24-N43 PolarHBondContact OH-ND2 2.01Å; Y24-R89 WeakPolarHBondContact O-CA 3.39Å; Y24-G90 PolarHBondContact N-O 2.61Å; Y24-G90 PolarHBondContact O-N 3.4Å; Y24-G90 VanDerWaalsContact O-N 3.1Å; Y24-Y92 HydrophobicContact CD2-CD1 4.31Å; Y24-Y92 HydrophobicContact CD2-CE1 4.16Å; Y24-Y92 AromaticContact CE2-CD1 3.45Å; Y24-Y92 HydrophobicContact CE2-CD1 3.45Å; Y24-Y92 VanDerWaalsContact CE2-CD1 3.45Å; Y24-Y92 AromaticContact CE2-CE1 3.23Å; Y24-Y92 HydrophobicContact CE2-CE1 3.23Å; Y24-Y92 HydrophobicContact CE2-CE2 4.41Å; Y24-Y92 HydrophobicContact CE2-CG 4.12Å; Y24-Y92 AromaticContact CE2-CZ 3.76Å; Y24-Y92 AromaticContact CZ-CE1 3.82Å
25	M	96.8	Very high	94.2	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.1	168.4	-70.2	-50.2	-49.7	0	0	110	F20 E41 I42 P44 A70 C87 T88 R89	F20-M25 HydrophobicContact CE2-CG 3.68Å; F20-M25 HydrophobicContact CE2-SD 4.22Å; F20-M25 HydrophobicContact CZ-CG 4.33Å; M25-E41 CarbonylContact O-C 3.54Å; M25-E41 VanDerWaalsContact O-CA 3.24Å; M25-E41 WeakPolarHBondContact O-CA 3.44Å; M25-I42 HydrophobicContact CB-CG2 3.97Å; M25-I42 PolarHBondContact N-O 3Å; M25-I42 PolarHBondContact O-N 3.44Å; M25-P44 HydrophobicContact CG-CG 4.1Å; M25-A70 HydrophobicContact CB-CB 4.05Å; M25-A70 HydrophobicContact CG-CB 4.01Å; M25-C87 HydrophobicContact CE-CB 4.07Å; M25-T88 WeakPolarHBondContact CE-O 3.31Å; M25-R89 HydrophobicContact SD-CB 4.26Å
26	Y	97.1	Very high	94.1	Very high	46 Å²	46	60.3 Å²	60.3	18%	0.18	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.8	178.6	-65.3	-95.4	0	0	0	110.1	Y24 W38 E41 C87 T88 G90	Y24-Y26 VanDerWaalsContact CB-CE2 3.48Å; Y26-W38 AromaticContact CD1-NE1 3.51Å; Y26-E41 HydrophobicContact CD1-CB 3.85Å; Y26-E41 HydrophobicContact CE1-CB 3.85Å; Y26-E41 HydrophobicContact CE1-CG 4.49Å; Y26-E41 WeakPolarHBondContact CE1-OE2 3.13Å; Y26-E41 HydrophobicContact CG-CB 4.35Å; Y26-E41 PolarHBondContact OH-OE2 2.83Å; Y26-C87 CarbonylContact O-C 3.5Å; Y26-C87 WeakPolarHBondContact O-CA 3.32Å; Y26-T88 WeakPolarHBondContact CB-OG1 3.49Å; Y26-T88 PolarHBondContact N-O 2.94Å; Y26-T88 PolarHBondContact O-N 3.47Å; Y26-G90 VanDerWaalsContact CE2-CA 3.46Å
27	W	97.9	Very high	94.2	Very high	6 Å²	6	57.2 Å²	57.2	2%	0.023	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.2	172.5	-69.5	89.8	0	0	0	110	L11 C13 I39 G40 L61 A70 M72 Y86 C87	L11-W27 HydrophobicContact CB-CH2 4.02Å; L11-W27 HydrophobicContact CB-CZ3 3.89Å; L11-W27 HydrophobicContact CD1-CZ3 4.45Å; C13-W27 HydrophobicContact CB-CH2 3.8Å; C13-W27 HydrophobicContact CB-CZ2 3.92Å; W27-I39 HydrophobicContact CB-CB 4.16Å; W27-I39 HydrophobicContact CB-CD1 4.3Å; W27-I39 WeakPolarHBondContact O-CB 3.47Å; W27-I39 PolarHBondContact O-N 2.82Å; W27-G40 PolarHBondContact N-O 2.72Å; W27-L61 VanDerWaalsContact CD1-CD2 3.49Å; W27-L61 HydrophobicContact CG-CD2 4.05Å; W27-A70 HydrophobicContact CZ2-CB 4.34Å; W27-M72 HydrophobicContact CB-CE 4.45Å; W27-M72 HydrophobicContact CB-SD 3.8Å; W27-M72 HydrophobicContact CD2-CB 3.63Å; W27-M72 HydrophobicContact CD2-CE 4.14Å; W27-M72 HydrophobicContact CD2-CG 4.41Å; W27-M72 HydrophobicContact CD2-SD 3.99Å; W27-M72 HydrophobicContact CE3-CB 3.84Å; W27-M72 HydrophobicContact CE3-CE 3.58Å; W27-M72 HydrophobicContact CE3-SD 4.06Å; W27-M72 HydrophobicContact CG-CB 4.2Å; W27-M72 HydrophobicContact CG-SD 3.9Å; W27-M72 HydrophobicContact CH2-CB 3.98Å; W27-M72 HydrophobicContact CZ2-CB 3.8Å; W27-M72 HydrophobicContact CZ3-CB 4Å; W27-M72 HydrophobicContact CZ3-CE 4.15Å; W27-Y86 WeakPolarHBondContact CA-O 3.28Å; W27-C87 HydrophobicContact CD2-CB 4.37Å; W27-C87 HydrophobicContact CE3-CB 4.21Å; W27-C87 HydrophobicContact CH2-CB 4.31Å; W27-C87 HydrophobicContact CZ2-CB 4.44Å; W27-C87 HydrophobicContact CZ3-CB 4.19Å
28	V	97.1	Very high	94.3	Very high	18 Å²	18	56.8 Å²	56.8	11%	0.109	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.2	-174.1	-174.4	0	0	0	0	109.5	L36 E37 Y85 Y86	V28-L36 HydrophobicContact CG1-CB 3.72Å; V28-L36 HydrophobicContact CG1-CD2 3.88Å; V28-L36 HydrophobicContact CG1-CG 4.25Å; V28-E37 WeakPolarHBondContact CA-O 3.45Å; V28-E37 WeakPolarHBondContact CG1-O 3.2Å; V28-Y85 WeakPolarHBondContact O-CA 3.44Å; V28-Y86 PolarHBondContact N-O 3.09Å; V28-Y86 PolarHBondContact O-N 3.37Å
29	K	95.6	Very high	94.6	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.9	175.1	-174.5	-178.7	179.4	-179.1	0	109.9	E37 I39 F55 E80 D81 A83 Y85	K29-E37 HydrophobicContact CB-CB 4.39Å; K29-E37 PolarHBondContact N-O 3.04Å; K29-E37 PolarHBondContact O-N 3.19Å; K29-I39 HydrophobicContact CB-CD1 4.04Å; K29-I39 HydrophobicContact CB-CG1 4.2Å; K29-F55 HydrophobicContact CD-CE1 4.1Å; K29-F55 HydrophobicContact CD-CZ 4.07Å; K29-E80 WeakPolarHBondContact CE-O 3.32Å; K29-E80 PolarHBondContact NZ-O 3.29Å; K29-D81 IonicContact NZ-OD1 3.02Å; K29-A83 HydrophobicContact CD-CB 4.06Å; K29-A83 VanDerWaalsContact CE-CB 3.49Å; K29-A83 HydrophobicContact CG-CB 3.41Å; K29-A83 VanDerWaalsContact CG-CB 3.41Å; K29-Y85 HydrophobicContact CB-CD1 4.22Å; K29-Y85 HydrophobicContact CB-CE1 4.02Å; K29-Y85 HydrophobicContact CD-CE1 4.08Å; K29-Y85 HydrophobicContact CG-CD1 4.33Å; K29-Y85 HydrophobicContact CG-CE1 3.84Å
30	Q	95.7	Very high	94.7	Very high	67 Å²	67	49.6 Å²	49.6	31%	0.313	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.2	172.7	-169.1	-178.4	31.3	0	0	110.2	L36 A83 V84 Y86	Q30-L36 HydrophobicContact CB-CD2 3.83Å; Q30-L36 HydrophobicContact CG-CD2 3.93Å; Q30-A83 WeakPolarHBondContact O-CB 3.48Å; Q30-V84 PolarHBondContact N-O 3.48Å; Q30-V84 PolarHBondContact O-N 3.38Å; Q30-Y86 HydrophobicContact CB-CD2 4.38Å; Q30-Y86 HydrophobicContact CB-CE2 3.73Å; Q30-Y86 VanDerWaalsContact OE1-CE2 3.26Å; Q30-Y86 PolarHBondContact OE1-OH 2.6Å
31	R	93.3	Very high	94.8	Very high	53 Å²	53	50.8 Å²	50.8	20%	0.2	29%	0.291	C	S	.	.			trans	-90.3	148.6	169.6	-60	-163.2	-170.8	95	-4.4	110.3	G33 Q34 E37 E80 A83	R31-G33 PolarHBondContact O-N 2.89Å; R31-Q34 HydrophobicContact CB-CB 4.03Å; R31-Q34 HydrophobicContact CB-CG 4.06Å; R31-Q34 PolarHBondContact O-N 3.21Å; R31-E37 IonicContact CZ-OE1 2.53Å; R31-E37 IonicContact NH1-OE1 3.21Å; R31-E37 PolarHBondContact NH1-OE1 2.76Å; R31-E80 PolarHBondContact NE-O 2.87Å; R31-E80 PolarHBondContact NH2-O 2.61Å; R31-A83 HydrophobicContact CG-CB 4.13Å
32	P	90.4	Very high	95	Very high	120 Å²	120	48.4 Å²	48.4	78%	0.779	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	128	171.8	-24.6	34.2	0	0	0	111.1	Q34	P32-Q34 PolarHBondContact O-N 2.85Å
33	G	91.1	Very high	95.1	Very high	95 Å²	95	45.8 Å²	45.8	98%	0.979	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	4.8	-179.3	0	0	0	0	0	115.6	R31	R31-G33 PolarHBondContact O-N 2.89Å
34	Q	90.6	Very high	95.3	Very high	99 Å²	99	42.3 Å²	42.3	46%	0.463	24%	0.244	S	C	.	.	S	Bend	trans	-116.6	160.6	174.7	-58.1	-174.6	-5.9	0	0	111.2	R31 P32	R31-Q34 HydrophobicContact CB-CB 4.03Å; R31-Q34 HydrophobicContact CB-CG 4.06Å; R31-Q34 PolarHBondContact O-N 3.21Å; P32-Q34 PolarHBondContact O-N 2.85Å
35	G	91.1	Very high	95.3	Very high	56 Å²	56	42 Å²	42	58%	0.577	25%	0.249	S	C	*	.			trans	-67.6	176.2	173.6	0	0	0	0	0	113.2
36	L	93.8	Very high	95.2	Very high	119 Å²	119	47.4 Å²	47.4	62%	0.623	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.1	171.6	-66.1	176.8	0	0	0	109.9	V28 Q30	V28-L36 HydrophobicContact CG1-CB 3.72Å; V28-L36 HydrophobicContact CG1-CD2 3.88Å; V28-L36 HydrophobicContact CG1-CG 4.25Å; Q30-L36 HydrophobicContact CB-CD2 3.83Å; Q30-L36 HydrophobicContact CG-CD2 3.93Å
37	E	95.4	Very high	95.2	Very high	35 Å²	35	47 Å²	47	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.6	173.1	-66.7	-167.8	-97.5	0	0	109.6	V28 K29 R31 K54	V28-E37 WeakPolarHBondContact CA-O 3.45Å; V28-E37 WeakPolarHBondContact CG1-O 3.2Å; K29-E37 HydrophobicContact CB-CB 4.39Å; K29-E37 PolarHBondContact N-O 3.04Å; K29-E37 PolarHBondContact O-N 3.19Å; R31-E37 IonicContact CZ-OE1 2.53Å; R31-E37 IonicContact NH1-OE1 3.21Å; R31-E37 PolarHBondContact NH1-OE1 2.76Å; E37-K54 IonicContact OE2-NZ 2.77Å; E37-K54 PolarHBondContact OE2-NZ 3.03Å
38	W	96.1	Very high	95.1	Very high	81 Å²	81	48.4 Å²	48.4	31%	0.307	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	130	173.5	177.7	73.8	0	0	0	110.8	Y26 G40 E41 N50 F51 N52	Y26-W38 AromaticContact CD1-NE1 3.51Å; W38-G40 VanDerWaalsContact CE2-CA 3.45Å; W38-G40 PolarHBondContact NE1-O 2.53Å; W38-G40 VanDerWaalsContact NE1-O 3.16Å; W38-E41 HydrophobicContact CZ2-CB 4.27Å; W38-E41 HydrophobicContact CZ2-CG 4.2Å; W38-N50 HydrophobicContact CH2-CB 4.41Å; W38-F51 VanDerWaalsContact CZ3-C 3.43Å; W38-N52 HydrophobicContact CE3-CB 3.65Å; W38-N52 HydrophobicContact CZ3-CB 3.8Å; W38-N52 VanDerWaalsContact O-CB 3.24Å; W38-N52 WeakPolarHBondContact O-CB 3.2Å; W38-N52 PolarHBondContact O-ND2 3.16Å
39	I	97.5	Very high	95.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-49.5	179.8	-62.9	168.9	0	0	0	110.4	W27 K29 N52 F55 A59 M72 Y85	W27-I39 HydrophobicContact CB-CB 4.16Å; W27-I39 HydrophobicContact CB-CD1 4.3Å; W27-I39 WeakPolarHBondContact O-CB 3.47Å; W27-I39 PolarHBondContact O-N 2.82Å; K29-I39 HydrophobicContact CB-CD1 4.04Å; K29-I39 HydrophobicContact CB-CG1 4.2Å; I39-N52 PolarHBondContact O-N 3.1Å; I39-F55 HydrophobicContact CB-CD2 4.32Å; I39-F55 HydrophobicContact CB-CG 4.31Å; I39-F55 HydrophobicContact CG1-CD1 4.24Å; I39-F55 HydrophobicContact CG1-CD2 4.23Å; I39-F55 HydrophobicContact CG1-CE1 4.2Å; I39-F55 HydrophobicContact CG1-CE2 4.18Å; I39-F55 HydrophobicContact CG1-CG 4.25Å; I39-F55 HydrophobicContact CG1-CZ 4.17Å; I39-F55 HydrophobicContact CG2-CB 3.78Å; I39-F55 HydrophobicContact CG2-CD1 4.25Å; I39-F55 HydrophobicContact CG2-CD2 4.36Å; I39-F55 HydrophobicContact CG2-CG 3.89Å; I39-A59 HydrophobicContact CG2-CB 3.88Å; I39-M72 HydrophobicContact CB-SD 4.48Å; I39-M72 HydrophobicContact CD1-CE 3.72Å; I39-M72 HydrophobicContact CD1-SD 3.67Å; I39-M72 HydrophobicContact CG2-SD 3.84Å; I39-Y85 HydrophobicContact CD1-CD1 3.71Å; I39-Y85 HydrophobicContact CD1-CE1 3.73Å
40	G	97.3	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.7	173.8	-170.8	0	0	0	0	0	112.3	W27 W38 N50	W27-G40 PolarHBondContact N-O 2.72Å; W38-G40 VanDerWaalsContact CE2-CA 3.45Å; W38-G40 PolarHBondContact NE1-O 2.53Å; W38-G40 VanDerWaalsContact NE1-O 3.16Å; G40-N50 CarbonylContact C-O 3.44Å; G40-N50 WeakPolarHBondContact CA-O 3.26Å
41	E	97.4	Very high	95.3	Very high	33 Å²	33	53.3 Å²	53.3	15%	0.154	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.8	174.6	71.4	-171.7	175.6	0	0	110.6	Y24 M25 Y26 W38 T49 N50 L61	Y24-E41 HydrophobicContact CD1-CB 4.41Å; Y24-E41 HydrophobicContact CD1-CG 4.07Å; M25-E41 CarbonylContact O-C 3.54Å; M25-E41 VanDerWaalsContact O-CA 3.24Å; M25-E41 WeakPolarHBondContact O-CA 3.44Å; Y26-E41 HydrophobicContact CD1-CB 3.85Å; Y26-E41 HydrophobicContact CE1-CB 3.85Å; Y26-E41 HydrophobicContact CE1-CG 4.49Å; Y26-E41 WeakPolarHBondContact CE1-OE2 3.13Å; Y26-E41 HydrophobicContact CG-CB 4.35Å; Y26-E41 PolarHBondContact OH-OE2 2.83Å; W38-E41 HydrophobicContact CZ2-CB 4.27Å; W38-E41 HydrophobicContact CZ2-CG 4.2Å; E41-T49 VanDerWaalsContact O-CA 3.3Å; E41-T49 WeakPolarHBondContact O-CA 3.31Å; E41-N50 HydrophobicContact CG-CB 3.96Å; E41-N50 PolarHBondContact N-O 3.27Å; E41-N50 PolarHBondContact O-N 3.41Å; E41-L61 WeakPolarHBondContact O-CD1 3.48Å
42	I	97.8	Very high	95.4	Very high	3 Å²	3	53 Å²	53	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.6	170.9	-174.9	158.2	0	0	0	110	M25 P44 G48 T49 L61 V63 A70	M25-I42 HydrophobicContact CB-CG2 3.97Å; M25-I42 PolarHBondContact N-O 3Å; M25-I42 PolarHBondContact O-N 3.44Å; I42-P44 VanDerWaalsContact O-CD 3.29Å; I42-P44 WeakPolarHBondContact O-CD 3.26Å; I42-G48 CarbonylContact C-O 3.59Å; I42-G48 WeakPolarHBondContact CA-O 3.41Å; I42-T49 HydrophobicContact CB-CG2 3.99Å; I42-T49 HydrophobicContact CD1-CG2 3.7Å; I42-T49 HydrophobicContact CG1-CG2 3.78Å; I42-L61 HydrophobicContact CB-CB 4.03Å; I42-L61 HydrophobicContact CB-CD1 4.24Å; I42-L61 HydrophobicContact CD1-CB 3.99Å; I42-L61 HydrophobicContact CG2-CB 4.36Å; I42-V63 HydrophobicContact CD1-CG1 3.77Å; I42-V63 HydrophobicContact CD1-CG2 4.34Å; I42-V63 HydrophobicContact CG1-CG1 3.93Å; I42-V63 HydrophobicContact CG2-CG1 3.91Å; I42-A70 HydrophobicContact CG2-CB 4.5Å
43	N	96.9	Very high	95.6	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.011	33%	0.328	C	S	.	.			trans	-84.7	110.6	170.4	-171.3	-27.6	0	0	0	109.3	Y24 S45 N46 G47 G48 Y92	Y24-N43 HydrophobicContact CD1-CB 3.85Å; Y24-N43 HydrophobicContact CE1-CB 3.48Å; Y24-N43 VanDerWaalsContact CE1-CB 3.48Å; Y24-N43 PolarHBondContact OH-ND2 2.01Å; N43-S45 VanDerWaalsContact CG-OG 3.27Å; N43-S45 PolarHBondContact ND2-OG 2.91Å; N43-S45 PolarHBondContact O-N 3.01Å; N43-S45 VanDerWaalsContact OD1-CB 3.28Å; N43-S45 WeakPolarHBondContact OD1-CB 3.15Å; N43-S45 PolarHBondContact OD1-N 3.11Å; N43-S45 PolarHBondContact OD1-OG 2.84Å; N43-N46 WeakPolarHBondContact CB-OD1 3.31Å; N43-G47 VanDerWaalsContact O-CA 3.24Å; N43-G47 WeakPolarHBondContact O-CA 3.05Å; N43-G47 PolarHBondContact O-N 3.14Å; N43-G48 PolarHBondContact N-O 3.02Å; N43-Y92 PolarHBondContact ND2-OH 3.4Å; N43-Y92 PolarHBondContact OD1-OH 2.7Å
44	P	96.7	Very high	95.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.4	-179.2	-16.2	32	0	0	0	113.7	F20 Y23 M25 I42 V63 K65	F20-P44 HydrophobicContact CD1-CB 3.81Å; F20-P44 HydrophobicContact CD1-CG 4.43Å; F20-P44 HydrophobicContact CD2-CG 4.32Å; F20-P44 HydrophobicContact CE1-CB 3.53Å; F20-P44 HydrophobicContact CE1-CG 4.07Å; F20-P44 HydrophobicContact CE2-CB 4.31Å; F20-P44 HydrophobicContact CE2-CG 3.94Å; F20-P44 HydrophobicContact CG-CB 4.33Å; F20-P44 HydrophobicContact CZ-CB 3.8Å; F20-P44 HydrophobicContact CZ-CG 3.8Å; Y23-P44 WeakPolarHBondContact O-CD 3.04Å; Y23-P44 WeakPolarHBondContact O-CG 2.84Å; M25-P44 HydrophobicContact CG-CG 4.1Å; I42-P44 VanDerWaalsContact O-CD 3.29Å; I42-P44 WeakPolarHBondContact O-CD 3.26Å; P44-V63 HydrophobicContact CB-CG1 4.07Å; P44-V63 HydrophobicContact CG-CG1 4.29Å; P44-K65 WeakPolarHBondContact O-CE 3.44Å
45	S	95.8	Very high	96	Very high	46 Å²	46	51.7 Å²	51.7	32%	0.322	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-46.1	177.8	72.4	0	0	0	0	112.5	N43 K65	N43-S45 VanDerWaalsContact CG-OG 3.27Å; N43-S45 PolarHBondContact ND2-OG 2.91Å; N43-S45 PolarHBondContact O-N 3.01Å; N43-S45 VanDerWaalsContact OD1-CB 3.28Å; N43-S45 WeakPolarHBondContact OD1-CB 3.15Å; N43-S45 PolarHBondContact OD1-N 3.11Å; N43-S45 PolarHBondContact OD1-OG 2.84Å; S45-K65 PolarHBondContact O-NZ 2.94Å
46	N	95.4	Very high	96.1	Very high	116 Å²	116	54.7 Å²	54.7	62%	0.62	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-5.2	-173.1	64.7	15.9	0	0	0	114	N43 G48	N43-N46 WeakPolarHBondContact CB-OD1 3.31Å; N46-G48 VanDerWaalsContact C-N 3.27Å; N46-G48 PolarHBondContact O-N 2.78Å; N46-G48 PolarHBondContact OD1-N 3.04Å
47	G	95.8	Very high	96.1	Very high	37 Å²	37	54.4 Å²	54.4	38%	0.381	30%	0.296	S	S	.	.			trans	78.2	5.9	-179.3	0	0	0	0	0	114.6	N43 T49	N43-G47 VanDerWaalsContact O-CA 3.24Å; N43-G47 WeakPolarHBondContact O-CA 3.05Å; N43-G47 PolarHBondContact O-N 3.14Å; G47-T49 PolarHBondContact O-N 3.21Å
48	G	96.9	Very high	96.1	Very high	36 Å²	36	54.5 Å²	54.5	37%	0.371	30%	0.296	S	S	.	.			trans	-60.1	134.7	176.4	0	0	0	0	0	111.1	I42 N43 N46	I42-G48 CarbonylContact C-O 3.59Å; I42-G48 WeakPolarHBondContact CA-O 3.41Å; N43-G48 PolarHBondContact N-O 3.02Å; N46-G48 VanDerWaalsContact C-N 3.27Å; N46-G48 PolarHBondContact O-N 2.78Å; N46-G48 PolarHBondContact OD1-N 3.04Å
49	T	97.3	Very high	96.2	Very high	70 Å²	70	50.9 Å²	50.9	43%	0.429	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148	-178.4	53.3	0	0	0	0	111	E41 I42 G47 F51 L61	E41-T49 VanDerWaalsContact O-CA 3.3Å; E41-T49 WeakPolarHBondContact O-CA 3.31Å; I42-T49 HydrophobicContact CB-CG2 3.99Å; I42-T49 HydrophobicContact CD1-CG2 3.7Å; I42-T49 HydrophobicContact CG1-CG2 3.78Å; G47-T49 PolarHBondContact O-N 3.21Å; T49-F51 HydrophobicContact CG2-CE2 4.44Å; T49-L61 HydrophobicContact CG2-CB 3.98Å
50	N	96.8	Very high	96.2	Very high	86 Å²	86	54.5 Å²	54.5	46%	0.46	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.3	168.4	-170.7	17.2	0	0	0	108.9	W38 G40 E41	W38-N50 HydrophobicContact CH2-CB 4.41Å; G40-N50 CarbonylContact C-O 3.44Å; G40-N50 WeakPolarHBondContact CA-O 3.26Å; E41-N50 HydrophobicContact CG-CB 3.96Å; E41-N50 PolarHBondContact N-O 3.27Å; E41-N50 PolarHBondContact O-N 3.41Å
51	F	97.3	Very high	96.3	Very high	33 Å²	33	55 Å²	55	15%	0.145	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.4	-172.9	-68.5	-87	0	0	0	111.1	W38 T49 K56 A59 L61	W38-F51 VanDerWaalsContact CZ3-C 3.43Å; T49-F51 HydrophobicContact CG2-CE2 4.44Å; F51-K56 HydrophobicContact CB-CB 4.16Å; F51-K56 HydrophobicContact CB-CG 4.28Å; F51-A59 HydrophobicContact CD1-CB 4.22Å; F51-A59 HydrophobicContact CE1-CB 3.84Å; F51-L61 HydrophobicContact CE1-CD1 3.83Å; F51-L61 HydrophobicContact CE1-CD2 4.38Å; F51-L61 HydrophobicContact CE1-CG 3.58Å; F51-L61 HydrophobicContact CZ-CB 4.21Å; F51-L61 HydrophobicContact CZ-CD1 4.02Å; F51-L61 HydrophobicContact CZ-CG 3.67Å
52	N	95.9	Very high	96.3	Very high	46 Å²	46	56.3 Å²	56.3	25%	0.246	32%	0.319	C	S	.	.			trans	-70.2	133.8	158.8	-177	-30.7	0	0	0	108.4	W38 I39 K54 F55 K56	W38-N52 HydrophobicContact CE3-CB 3.65Å; W38-N52 HydrophobicContact CZ3-CB 3.8Å; W38-N52 VanDerWaalsContact O-CB 3.24Å; W38-N52 WeakPolarHBondContact O-CB 3.2Å; W38-N52 PolarHBondContact O-ND2 3.16Å; I39-N52 PolarHBondContact O-N 3.1Å; N52-K54 PolarHBondContact O-N 2.86Å; N52-K54 PolarHBondContact OD1-N 2.89Å; N52-K54 VanDerWaalsContact OD1-N 3.14Å; N52-F55 HydrophobicContact CB-CD2 4.03Å; N52-F55 PolarHBondContact O-N 2.9Å; N52-K56 PolarHBondContact O-N 2.87Å
53	E	95.4	Very high	96.3	Very high	133 Å²	133	57.9 Å²	57.9	62%	0.621	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.6	-177.4	-70.3	-61.4	151.3	0	0	112.8	F55 K56	E53-F55 PolarHBondContact O-N 3.19Å; E53-K56 IonicContact OE1-NZ 3.61Å; E53-K56 PolarHBondContact OE1-NZ 3.21Å; E53-K56 VanDerWaalsContact OE2-CD 3.26Å; E53-K56 WeakPolarHBondContact OE2-CD 3.13Å; E53-K56 IonicContact OE2-NZ 2.82Å; E53-K56 PolarHBondContact OE2-NZ 3.48Å
54	K	93.4	Very high	96.3	Very high	143 Å²	143	60.4 Å²	60.4	62%	0.622	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.9	175.4	-66.6	-174.4	-174.7	179.9	0	114.2	E37 N52	E37-K54 IonicContact OE2-NZ 2.77Å; E37-K54 PolarHBondContact OE2-NZ 3.03Å; N52-K54 PolarHBondContact O-N 2.86Å; N52-K54 PolarHBondContact OD1-N 2.89Å; N52-K54 VanDerWaalsContact OD1-N 3.14Å
55	F	95.1	Very high	96.3	Very high	11 Å²	11	65.7 Å²	65.7	5%	0.048	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-8.5	-172.5	-62.1	-83.3	0	0	0	113.3	K29 I39 N52 E53 S57 K58 A59	K29-F55 HydrophobicContact CD-CE1 4.1Å; K29-F55 HydrophobicContact CD-CZ 4.07Å; I39-F55 HydrophobicContact CB-CD2 4.32Å; I39-F55 HydrophobicContact CB-CG 4.31Å; I39-F55 HydrophobicContact CG1-CD1 4.24Å; I39-F55 HydrophobicContact CG1-CD2 4.23Å; I39-F55 HydrophobicContact CG1-CE1 4.2Å; I39-F55 HydrophobicContact CG1-CE2 4.18Å; I39-F55 HydrophobicContact CG1-CG 4.25Å; I39-F55 HydrophobicContact CG1-CZ 4.17Å; I39-F55 HydrophobicContact CG2-CB 3.78Å; I39-F55 HydrophobicContact CG2-CD1 4.25Å; I39-F55 HydrophobicContact CG2-CD2 4.36Å; I39-F55 HydrophobicContact CG2-CG 3.89Å; N52-F55 HydrophobicContact CB-CD2 4.03Å; N52-F55 PolarHBondContact O-N 2.9Å; E53-F55 PolarHBondContact O-N 3.19Å; F55-S57 VanDerWaalsContact C-N 3.25Å; F55-S57 PolarHBondContact O-N 2.91Å; F55-K58 PolarHBondContact O-N 3.17Å; F55-A59 HydrophobicContact CB-CB 4.26Å; F55-A59 WeakPolarHBondContact O-CB 3.2Å; F55-A59 PolarHBondContact O-N 3.4Å
56	K	94.4	Very high	96.3	Very high	118 Å²	118	68.8 Å²	68.8	51%	0.513	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.1	-173.5	-167.2	176.7	-171.1	173.5	0	114.3	F51 N52 E53	F51-K56 HydrophobicContact CB-CB 4.16Å; F51-K56 HydrophobicContact CB-CG 4.28Å; N52-K56 PolarHBondContact O-N 2.87Å; E53-K56 IonicContact OE1-NZ 3.61Å; E53-K56 PolarHBondContact OE1-NZ 3.21Å; E53-K56 VanDerWaalsContact OE2-CD 3.26Å; E53-K56 WeakPolarHBondContact OE2-CD 3.13Å; E53-K56 IonicContact OE2-NZ 2.82Å; E53-K56 PolarHBondContact OE2-NZ 3.48Å
57	S	94.6	Very high	96.4	Very high	113 Å²	113	64.9 Å²	64.9	79%	0.79	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.1	177	58.9	0	0	0	0	114.1	F55	F55-S57 VanDerWaalsContact C-N 3.25Å; F55-S57 PolarHBondContact O-N 2.91Å
58	K	95.1	Very high	96.4	Very high	37 Å²	37	65 Å²	65	16%	0.161	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-31.5	-167.3	-161.8	172.8	-169.9	169.7	0	113.6	F55 L74 S75 S76 D81	F55-K58 PolarHBondContact O-N 3.17Å; K58-L74 WeakPolarHBondContact O-CA 3.34Å; K58-S75 WeakPolarHBondContact CE-O 3.19Å; K58-S75 WeakPolarHBondContact CG-O 3.43Å; K58-S75 PolarHBondContact O-N 3.14Å; K58-S75 PolarHBondContact O-OG 3.04Å; K58-S76 VanDerWaalsContact CE-O 3.31Å; K58-S76 WeakPolarHBondContact CE-O 2.98Å; K58-S76 PolarHBondContact NZ-O 3.36Å; K58-D81 WeakPolarHBondContact CE-OD2 3.37Å; K58-D81 IonicContact NZ-OD1 3.4Å; K58-D81 PolarHBondContact NZ-OD1 2.9Å; K58-D81 IonicContact NZ-OD2 3.7Å; K58-D81 PolarHBondContact NZ-OD2 2.79Å
59	A	97.4	Very high	96.5	Very high	5 Å²	5	63.8 Å²	63.8	4%	0.041	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.5	-178.3	0	0	0	0	0	110.8	I39 F51 F55 Q73 L74	I39-A59 HydrophobicContact CG2-CB 3.88Å; F51-A59 HydrophobicContact CD1-CB 4.22Å; F51-A59 HydrophobicContact CE1-CB 3.84Å; F55-A59 HydrophobicContact CB-CB 4.26Å; F55-A59 WeakPolarHBondContact O-CB 3.2Å; F55-A59 PolarHBondContact O-N 3.4Å; A59-Q73 CarbonylContact C-O 3.53Å; A59-Q73 WeakPolarHBondContact CA-O 3.39Å; A59-L74 HydrophobicContact CB-CD2 3.86Å
60	T	98.3	Very high	96.5	Very high	76 Å²	76	60.4 Å²	60.4	47%	0.466	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.2	168.9	-59.1	0	0	0	0	108.3	T62 M72 Q73	T60-T62 HydrophobicContact CG2-CG2 4.41Å; T60-M72 WeakPolarHBondContact O-CA 3.45Å; T60-Q73 PolarHBondContact N-O 2.85Å; T60-Q73 PolarHBondContact O-N 2.85Å
61	L	98.4	Very high	96.6	Very high	11 Å²	11	58.7 Å²	58.7	6%	0.058	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.1	179.3	-55	-178.1	0	0	0	109.8	W27 E41 I42 T49 F51 Y71 M72	W27-L61 VanDerWaalsContact CD1-CD2 3.49Å; W27-L61 HydrophobicContact CG-CD2 4.05Å; E41-L61 WeakPolarHBondContact O-CD1 3.48Å; I42-L61 HydrophobicContact CB-CB 4.03Å; I42-L61 HydrophobicContact CB-CD1 4.24Å; I42-L61 HydrophobicContact CD1-CB 3.99Å; I42-L61 HydrophobicContact CG2-CB 4.36Å; T49-L61 HydrophobicContact CG2-CB 3.98Å; F51-L61 HydrophobicContact CE1-CD1 3.83Å; F51-L61 HydrophobicContact CE1-CD2 4.38Å; F51-L61 HydrophobicContact CE1-CG 3.58Å; F51-L61 HydrophobicContact CZ-CB 4.21Å; F51-L61 HydrophobicContact CZ-CD1 4.02Å; F51-L61 HydrophobicContact CZ-CG 3.67Å; L61-Y71 WeakPolarHBondContact CA-O 3.24Å; L61-M72 HydrophobicContact CD2-CB 3.62Å; L61-M72 HydrophobicContact CD2-CG 3.61Å; L61-M72 HydrophobicContact CD2-SD 4.09Å
62	T	98.3	Very high	96.7	Very high	61 Å²	61	57.1 Å²	57.1	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.6	175.6	54.6	0	0	0	0	110.5	T60 Y71	T60-T62 HydrophobicContact CG2-CG2 4.41Å; T62-Y71 PolarHBondContact N-O 2.78Å; T62-Y71 PolarHBondContact O-N 2.78Å
63	V	97.8	Very high	96.8	Very high	36 Å²	36	59.1 Å²	59.1	22%	0.218	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.9	176.2	-70.1	0	0	0	0	110.6	F20 I42 P44 T69 A70	F20-V63 HydrophobicContact CE1-CB 4.3Å; F20-V63 HydrophobicContact CE1-CG1 4.33Å; F20-V63 HydrophobicContact CZ-CG1 4.1Å; I42-V63 HydrophobicContact CD1-CG1 3.77Å; I42-V63 HydrophobicContact CD1-CG2 4.34Å; I42-V63 HydrophobicContact CG1-CG1 3.93Å; I42-V63 HydrophobicContact CG2-CG1 3.91Å; P44-V63 HydrophobicContact CB-CG1 4.07Å; P44-V63 HydrophobicContact CG-CG1 4.29Å; V63-T69 WeakPolarHBondContact CA-O 3.45Å; V63-A70 HydrophobicContact CG1-CB 4.2Å
64	D	97.4	Very high	96.8	Very high	54 Å²	54	52.8 Å²	52.8	29%	0.289	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	106.6	163.8	174.4	7.5	0	0	0	108.2	S66 S67 S68 T69 Y71	D64-S66 VanDerWaalsContact C-N 3.29Å; D64-S66 PolarHBondContact O-N 2.97Å; D64-S66 WeakPolarHBondContact OD1-CB 3.3Å; D64-S66 PolarHBondContact OD1-N 2.8Å; D64-S66 PolarHBondContact OD1-OG 2.86Å; D64-S66 PolarHBondContact OD2-OG 2.78Å; D64-S67 WeakPolarHBondContact CB-OG 3.13Å; D64-S67 PolarHBondContact OD1-N 2.84Å; D64-S67 VanDerWaalsContact OD2-CB 3.31Å; D64-S67 WeakPolarHBondContact OD2-CB 3.39Å; D64-S67 PolarHBondContact OD2-OG 3.02Å; D64-S68 PolarHBondContact O-N 2.91Å; D64-S68 VanDerWaalsContact O-N 3.09Å; D64-T69 PolarHBondContact N-O 2.97Å; D64-T69 PolarHBondContact O-N 2.85Å; D64-Y71 HydrophobicContact CB-CE2 3.91Å
65	K	95.6	Very high	96.9	Very high	112 Å²	112	47.6 Å²	47.6	49%	0.487	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.5	-178.3	-54.9	-174.1	-160.8	-176.2	0	111.8	T21 P44 S45 S68	T21-K65 HydrophobicContact CG2-CD 4.35Å; P44-K65 WeakPolarHBondContact O-CE 3.44Å; S45-K65 PolarHBondContact O-NZ 2.94Å; K65-S68 PolarHBondContact O-N 2.92Å
66	S	95.5	Very high	96.8	Very high	110 Å²	110	50.8 Å²	50.8	77%	0.769	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-38.5	-177.6	73.1	0	0	0	0	111.7	D64	D64-S66 VanDerWaalsContact C-N 3.29Å; D64-S66 PolarHBondContact O-N 2.97Å; D64-S66 WeakPolarHBondContact OD1-CB 3.3Å; D64-S66 PolarHBondContact OD1-N 2.8Å; D64-S66 PolarHBondContact OD1-OG 2.86Å; D64-S66 PolarHBondContact OD2-OG 2.78Å
67	S	97.1	Very high	96.8	Very high	35 Å²	35	45.7 Å²	45.7	25%	0.245	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	0.6	177.5	67	0	0	0	0	113.9	D64 T69	D64-S67 WeakPolarHBondContact CB-OG 3.13Å; D64-S67 PolarHBondContact OD1-N 2.84Å; D64-S67 VanDerWaalsContact OD2-CB 3.31Å; D64-S67 WeakPolarHBondContact OD2-CB 3.39Å; D64-S67 PolarHBondContact OD2-OG 3.02Å; S67-T69 VanDerWaalsContact C-N 3.25Å; S67-T69 PolarHBondContact O-N 2.93Å; S67-T69 PolarHBondContact O-OG1 2.89Å; S67-T69 WeakPolarHBondContact OG-CB 3.4Å; S67-T69 PolarHBondContact OG-OG1 2.81Å; S67-T69 VanDerWaalsContact OG-OG1 3.06Å
68	S	97.3	Very high	96.7	Very high	40 Å²	40	43.4 Å²	43.4	28%	0.28	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	43.7	-172.7	-62.9	0	0	0	0	112.7	A15 D64 K65	A15-S68 WeakPolarHBondContact CB-O 3.49Å; A15-S68 PolarHBondContact N-O 2.97Å; D64-S68 PolarHBondContact O-N 2.91Å; D64-S68 VanDerWaalsContact O-N 3.09Å; K65-S68 PolarHBondContact O-N 2.92Å
69	T	98.3	Very high	96.4	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.8	-175	-52.7	0	0	0	0	111.2	C13 K14 V63 D64 S67 Y71	C13-T69 CarbonylContact O-C 3.58Å; C13-T69 WeakPolarHBondContact O-CA 3.49Å; K14-T69 HydrophobicContact CB-CG2 4.49Å; V63-T69 WeakPolarHBondContact CA-O 3.45Å; D64-T69 PolarHBondContact N-O 2.97Å; D64-T69 PolarHBondContact O-N 2.85Å; S67-T69 VanDerWaalsContact C-N 3.25Å; S67-T69 PolarHBondContact O-N 2.93Å; S67-T69 PolarHBondContact O-OG1 2.89Å; S67-T69 WeakPolarHBondContact OG-CB 3.4Å; S67-T69 PolarHBondContact OG-OG1 2.81Å; S67-T69 VanDerWaalsContact OG-OG1 3.06Å; T69-Y71 HydrophobicContact CG2-CD1 4.25Å; T69-Y71 HydrophobicContact CG2-CD2 4.31Å; T69-Y71 HydrophobicContact CG2-CE1 3.67Å; T69-Y71 HydrophobicContact CG2-CE2 3.72Å
70	A	98.2	Very high	96	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	147.3	166.2	0	0	0	0	0	110	S12 C13 F20 M25 W27 I42 V63	S12-A70 CarbonylContact C-O 3.59Å; C13-A70 HydrophobicContact CB-CB 4.47Å; C13-A70 PolarHBondContact N-O 3.24Å; C13-A70 PolarHBondContact O-N 2.93Å; F20-A70 HydrophobicContact CE2-CB 4.45Å; F20-A70 HydrophobicContact CZ-CB 4.08Å; M25-A70 HydrophobicContact CB-CB 4.05Å; M25-A70 HydrophobicContact CG-CB 4.01Å; W27-A70 HydrophobicContact CZ2-CB 4.34Å; I42-A70 HydrophobicContact CG2-CB 4.5Å; V63-A70 HydrophobicContact CG1-CB 4.2Å
71	Y	98.4	Very high	95.7	Very high	50 Å²	50	49.7 Å²	49.7	20%	0.196	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145	177.8	-58	-86.9	0	0	0	111	K10 L11 S12 L61 T62 D64 T69	K10-Y71 HydrophobicContact CD-CD1 4.37Å; K10-Y71 VanDerWaalsContact CE-CD1 3.4Å; K10-Y71 VanDerWaalsContact CE-CG 3.48Å; K10-Y71 HydrophobicContact CG-CD1 4.32Å; L11-Y71 CarbonylContact O-C 3.56Å; L11-Y71 WeakPolarHBondContact O-CA 3.4Å; S12-Y71 VanDerWaalsContact CB-CE1 3.47Å; L61-Y71 WeakPolarHBondContact CA-O 3.24Å; T62-Y71 PolarHBondContact N-O 2.78Å; T62-Y71 PolarHBondContact O-N 2.78Å; D64-Y71 HydrophobicContact CB-CE2 3.91Å; T69-Y71 HydrophobicContact CG2-CD1 4.25Å; T69-Y71 HydrophobicContact CG2-CD2 4.31Å; T69-Y71 HydrophobicContact CG2-CE1 3.67Å; T69-Y71 HydrophobicContact CG2-CE2 3.72Å
72	M	98.3	Very high	95.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.7	167.5	177.2	172.1	70.3	0	0	108.9	K10 L11 W27 I39 T60 L61 L74 Y85	K10-M72 WeakPolarHBondContact CA-O 3.43Å; L11-M72 HydrophobicContact CD1-CE 3.65Å; L11-M72 PolarHBondContact N-O 2.86Å; L11-M72 PolarHBondContact O-N 2.81Å; W27-M72 HydrophobicContact CB-CE 4.45Å; W27-M72 HydrophobicContact CB-SD 3.8Å; W27-M72 HydrophobicContact CD2-CB 3.63Å; W27-M72 HydrophobicContact CD2-CE 4.14Å; W27-M72 HydrophobicContact CD2-CG 4.41Å; W27-M72 HydrophobicContact CD2-SD 3.99Å; W27-M72 HydrophobicContact CE3-CB 3.84Å; W27-M72 HydrophobicContact CE3-CE 3.58Å; W27-M72 HydrophobicContact CE3-SD 4.06Å; W27-M72 HydrophobicContact CG-CB 4.2Å; W27-M72 HydrophobicContact CG-SD 3.9Å; W27-M72 HydrophobicContact CH2-CB 3.98Å; W27-M72 HydrophobicContact CZ2-CB 3.8Å; W27-M72 HydrophobicContact CZ3-CB 4Å; W27-M72 HydrophobicContact CZ3-CE 4.15Å; I39-M72 HydrophobicContact CB-SD 4.48Å; I39-M72 HydrophobicContact CD1-CE 3.72Å; I39-M72 HydrophobicContact CD1-SD 3.67Å; I39-M72 HydrophobicContact CG2-SD 3.84Å; T60-M72 WeakPolarHBondContact O-CA 3.45Å; L61-M72 HydrophobicContact CD2-CB 3.62Å; L61-M72 HydrophobicContact CD2-CG 3.61Å; L61-M72 HydrophobicContact CD2-SD 4.09Å; M72-L74 HydrophobicContact CE-CD1 4.02Å; M72-L74 HydrophobicContact CE-CG 4.22Å; M72-L74 HydrophobicContact CG-CD2 4.44Å; M72-L74 HydrophobicContact CG-CG 4.3Å; M72-L74 HydrophobicContact SD-CD2 4.25Å; M72-L74 HydrophobicContact SD-CG 4.42Å; M72-Y85 HydrophobicContact CE-CD1 3.6Å; M72-Y85 HydrophobicContact CE-CE1 4.06Å; M72-Y85 HydrophobicContact CE-CG 4.33Å
73	Q	97.9	Very high	95.2	Very high	87 Å²	87	52.1 Å²	52.1	41%	0.407	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.7	168.8	-177.7	171.1	-17.7	0	0	109	V9 A59 T60	V9-Q73 CarbonylContact O-C 3.57Å; V9-Q73 VanDerWaalsContact O-CA 3.3Å; V9-Q73 WeakPolarHBondContact O-CA 3.48Å; A59-Q73 CarbonylContact C-O 3.53Å; A59-Q73 WeakPolarHBondContact CA-O 3.39Å; T60-Q73 PolarHBondContact N-O 2.85Å; T60-Q73 PolarHBondContact O-N 2.85Å
74	L	96.6	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127	170.8	-66.9	169.5	0	0	0	108.5	S8 V9 K58 A59 M72 L77 Y85	S8-L74 CarbonylContact C-O 3.59Å; S8-L74 WeakPolarHBondContact CA-O 3.3Å; S8-L74 WeakPolarHBondContact CB-O 3.46Å; V9-L74 HydrophobicContact CG1-CB 4.18Å; V9-L74 PolarHBondContact N-O 2.82Å; V9-L74 PolarHBondContact O-N 3.05Å; K58-L74 WeakPolarHBondContact O-CA 3.34Å; A59-L74 HydrophobicContact CB-CD2 3.86Å; M72-L74 HydrophobicContact CE-CD1 4.02Å; M72-L74 HydrophobicContact CE-CG 4.22Å; M72-L74 HydrophobicContact CG-CD2 4.44Å; M72-L74 HydrophobicContact CG-CG 4.3Å; M72-L74 HydrophobicContact SD-CD2 4.25Å; M72-L74 HydrophobicContact SD-CG 4.42Å; L74-L77 HydrophobicContact CB-CD2 3.71Å; L74-L77 HydrophobicContact CD1-CD2 4.33Å; L74-Y85 HydrophobicContact CD1-CD1 4.35Å; L74-Y85 HydrophobicContact CD1-CE1 3.57Å; L74-Y85 HydrophobicContact CD1-CE2 4.37Å; L74-Y85 WeakPolarHBondContact CD1-OH 3.29Å
75	S	95.4	Very high	95.1	Very high	34 Å²	34	53.9 Å²	53.9	24%	0.238	32%	0.317	C	S	.	.			trans	-100.9	163.5	177.7	60.4	0	0	0	0	112.1	S8 K58 L77	S8-S75 WeakPolarHBondContact OG-CA 3.32Å; K58-S75 WeakPolarHBondContact CE-O 3.19Å; K58-S75 WeakPolarHBondContact CG-O 3.43Å; K58-S75 PolarHBondContact O-N 3.14Å; K58-S75 PolarHBondContact O-OG 3.04Å; S75-L77 VanDerWaalsContact C-N 3.34Å; S75-L77 PolarHBondContact O-N 3.06Å
76	S	93.7	Very high	95.2	Very high	79 Å²	79	53.1 Å²	53.1	55%	0.552	31%	0.312	S	S	*	.	S	Bend	trans	48.7	51.6	170.9	-57.2	0	0	0	0	113.4	A7 K58	A7-S76 PolarHBondContact O-N 3.03Å; K58-S76 VanDerWaalsContact CE-O 3.31Å; K58-S76 WeakPolarHBondContact CE-O 2.98Å; K58-S76 PolarHBondContact NZ-O 3.36Å
77	L	93	Very high	95.2	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	29%	0.291	C	S	.	.			trans	-64	139.5	-172.7	-68.1	172.3	0	0	0	112.3	V3 P5 G6 A7 V9 L74 S75 D81	V3-L77 HydrophobicContact CB-CD1 4.26Å; V3-L77 HydrophobicContact CG2-CD1 3.51Å; P5-L77 CarbonylContact C-O 3.55Å; P5-L77 WeakPolarHBondContact CA-O 3.44Å; G6-L77 PolarHBondContact N-O 2.98Å; A7-L77 WeakPolarHBondContact O-CB 3.41Å; A7-L77 VanDerWaalsContact O-CG 3.26Å; A7-L77 WeakPolarHBondContact O-CG 3.4Å; A7-L77 PolarHBondContact O-N 3.1Å; V9-L77 HydrophobicContact CB-CD1 3.99Å; V9-L77 HydrophobicContact CG1-CD1 3.77Å; L74-L77 HydrophobicContact CB-CD2 3.71Å; L74-L77 HydrophobicContact CD1-CD2 4.33Å; S75-L77 VanDerWaalsContact C-N 3.34Å; S75-L77 PolarHBondContact O-N 3.06Å; L77-D81 VanDerWaalsContact CA-OD2 3.31Å; L77-D81 WeakPolarHBondContact CA-OD2 3.48Å; L77-D81 HydrophobicContact CD2-CB 3.78Å
78	T	92.3	Very high	95.1	Very high	65 Å²	65	51.8 Å²	51.8	40%	0.399	30%	0.299	S	S	.	.			trans	-121.5	172	176.1	67.7	0	0	0	0	110	E80 D81	T78-E80 PolarHBondContact O-N 2.99Å; T78-E80 PolarHBondContact OG1-N 2.79Å; T78-D81 PolarHBondContact N-OD2 2.82Å; T78-D81 WeakPolarHBondContact O-CB 3.39Å; T78-D81 PolarHBondContact O-N 3.35Å; T78-D81 PolarHBondContact OG1-OD2 3.2Å
79	S	89.7	Confident	94.8	Very high	106 Å²	106	55.3 Å²	55.3	74%	0.741	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-56.7	-30.6	174.9	49.8	0	0	0	0	112.5	D81 S82	S79-D81 PolarHBondContact O-N 3.13Å; S79-S82 VanDerWaalsContact O-CB 3.32Å; S79-S82 WeakPolarHBondContact O-CB 3.39Å; S79-S82 PolarHBondContact O-N 2.96Å; S79-S82 VanDerWaalsContact O-N 3.12Å
80	E	88.7	Confident	94.2	Very high	129 Å²	129	55.3 Å²	55.3	60%	0.603	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-67.2	-18	178.3	-62	-176	177.1	0	0	113.5	K29 R31 T78 S82	K29-E80 WeakPolarHBondContact CE-O 3.32Å; K29-E80 PolarHBondContact NZ-O 3.29Å; R31-E80 PolarHBondContact NE-O 2.87Å; R31-E80 PolarHBondContact NH2-O 2.61Å; T78-E80 PolarHBondContact O-N 2.99Å; T78-E80 PolarHBondContact OG1-N 2.79Å; E80-S82 VanDerWaalsContact C-N 3.3Å
81	D	91.8	Very high	92.8	Very high	14 Å²	14	56.6 Å²	56.6	8%	0.075	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-83.3	-6.3	175.2	-55.6	-51.4	0	0	0	113.3	K29 K58 L77 T78 S79 A83 Y85	K29-D81 IonicContact NZ-OD1 3.02Å; K58-D81 WeakPolarHBondContact CE-OD2 3.37Å; K58-D81 IonicContact NZ-OD1 3.4Å; K58-D81 PolarHBondContact NZ-OD1 2.9Å; K58-D81 IonicContact NZ-OD2 3.7Å; K58-D81 PolarHBondContact NZ-OD2 2.79Å; L77-D81 VanDerWaalsContact CA-OD2 3.31Å; L77-D81 WeakPolarHBondContact CA-OD2 3.48Å; L77-D81 HydrophobicContact CD2-CB 3.78Å; T78-D81 PolarHBondContact N-OD2 2.82Å; T78-D81 WeakPolarHBondContact O-CB 3.39Å; T78-D81 PolarHBondContact O-N 3.35Å; T78-D81 PolarHBondContact OG1-OD2 3.2Å; S79-D81 PolarHBondContact O-N 3.13Å; D81-A83 PolarHBondContact O-N 2.83Å; D81-Y85 WeakPolarHBondContact O-CE2 2.87Å; D81-Y85 PolarHBondContact O-OH 3.48Å
82	S	92.6	Very high	90.8	Very high	96 Å²	96	61 Å²	61	67%	0.671	34%	0.339	S	S	*	.			trans	-66.2	106.1	174.3	-161.3	0	0	0	0	110	S79 E80	S79-S82 VanDerWaalsContact O-CB 3.32Å; S79-S82 WeakPolarHBondContact O-CB 3.39Å; S79-S82 PolarHBondContact O-N 2.96Å; S79-S82 VanDerWaalsContact O-N 3.12Å; E80-S82 VanDerWaalsContact C-N 3.3Å
83	A	94.3	Very high	88.5	Confident	28 Å²	28	64.1 Å²	64.1	23%	0.231	37%	0.372	C	S	.	.	S	Bend	trans	-162.4	168.5	-172.7	0	0	0	0	0	110.5	K29 Q30 R31 D81 Y85	K29-A83 HydrophobicContact CD-CB 4.06Å; K29-A83 VanDerWaalsContact CE-CB 3.49Å; K29-A83 HydrophobicContact CG-CB 3.41Å; K29-A83 VanDerWaalsContact CG-CB 3.41Å; Q30-A83 WeakPolarHBondContact O-CB 3.48Å; R31-A83 HydrophobicContact CG-CB 4.13Å; D81-A83 PolarHBondContact O-N 2.83Å; A83-Y85 HydrophobicContact CB-CE2 4.01Å
84	V	95.8	Very high	85.9	Confident	76 Å²	76	64 Å²	64	46%	0.461	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137	162.4	-172.7	0	0	0	0	108.3	Q30 Y86	Q30-V84 PolarHBondContact N-O 3.48Å; Q30-V84 PolarHBondContact O-N 3.38Å; V84-Y86 HydrophobicContact CB-CE2 4.01Å; V84-Y86 HydrophobicContact CG1-CD1 4.45Å; V84-Y86 HydrophobicContact CG1-CD2 4.37Å; V84-Y86 HydrophobicContact CG1-CE1 3.76Å; V84-Y86 HydrophobicContact CG1-CE2 3.69Å; V84-Y86 WeakPolarHBondContact CG1-OH 3.24Å
85	Y	96.9	Very high	83.2	Confident	50 Å²	50	73 Å²	73	20%	0.196	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.1	179.2	-69.8	-90.5	0	0	0	109.4	L11 V28 K29 I39 M72 L74 D81 A83	L11-Y85 HydrophobicContact CD1-CD1 4.31Å; L11-Y85 HydrophobicContact CD1-CD2 4.19Å; L11-Y85 HydrophobicContact CD1-CG 3.82Å; V28-Y85 WeakPolarHBondContact O-CA 3.44Å; K29-Y85 HydrophobicContact CB-CD1 4.22Å; K29-Y85 HydrophobicContact CB-CE1 4.02Å; K29-Y85 HydrophobicContact CD-CE1 4.08Å; K29-Y85 HydrophobicContact CG-CD1 4.33Å; K29-Y85 HydrophobicContact CG-CE1 3.84Å; I39-Y85 HydrophobicContact CD1-CD1 3.71Å; I39-Y85 HydrophobicContact CD1-CE1 3.73Å; M72-Y85 HydrophobicContact CE-CD1 3.6Å; M72-Y85 HydrophobicContact CE-CE1 4.06Å; M72-Y85 HydrophobicContact CE-CG 4.33Å; L74-Y85 HydrophobicContact CD1-CD1 4.35Å; L74-Y85 HydrophobicContact CD1-CE1 3.57Å; L74-Y85 HydrophobicContact CD1-CE2 4.37Å; L74-Y85 WeakPolarHBondContact CD1-OH 3.29Å; D81-Y85 WeakPolarHBondContact O-CE2 2.87Å; D81-Y85 PolarHBondContact O-OH 3.48Å; A83-Y85 HydrophobicContact CB-CE2 4.01Å
86	Y	96.8	Very high	82.6	Confident	97 Å²	97	74.9 Å²	74.9	38%	0.38	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.4	179.3	-56.3	-82.1	0	0	0	109.8	W27 V28 Q30 V84	W27-Y86 WeakPolarHBondContact CA-O 3.28Å; V28-Y86 PolarHBondContact N-O 3.09Å; V28-Y86 PolarHBondContact O-N 3.37Å; Q30-Y86 HydrophobicContact CB-CD2 4.38Å; Q30-Y86 HydrophobicContact CB-CE2 3.73Å; Q30-Y86 VanDerWaalsContact OE1-CE2 3.26Å; Q30-Y86 PolarHBondContact OE1-OH 2.6Å; V84-Y86 HydrophobicContact CB-CE2 4.01Å; V84-Y86 HydrophobicContact CG1-CD1 4.45Å; V84-Y86 HydrophobicContact CG1-CD2 4.37Å; V84-Y86 HydrophobicContact CG1-CE1 3.76Å; V84-Y86 HydrophobicContact CG1-CE2 3.69Å; V84-Y86 WeakPolarHBondContact CG1-OH 3.24Å
87	C	96.3	Very high	82	Confident	48 Å²	48	74.7 Å²	74.7	32%	0.324	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.2	160.8	61.5	0	0	0	0	109.1	C13 M25 Y26 W27	C13-C87 HydrophobicContact CB-CB 3.5Å; C13-C87 VanDerWaalsContact CB-CB 3.5Å; C13-C87 WeakPolarHBondContact CB-SG 3.41Å; C13-C87 WeakPolarHBondContact SG-CB 3.39Å; C13-C87 CovalentContact SG-SG 2.01Å; C13-C87 PolarHBondContact SG-SG 3.44Å; M25-C87 HydrophobicContact CE-CB 4.07Å; Y26-C87 CarbonylContact O-C 3.5Å; Y26-C87 WeakPolarHBondContact O-CA 3.32Å; W27-C87 HydrophobicContact CD2-CB 4.37Å; W27-C87 HydrophobicContact CE3-CB 4.21Å; W27-C87 HydrophobicContact CH2-CB 4.31Å; W27-C87 HydrophobicContact CZ2-CB 4.44Å; W27-C87 HydrophobicContact CZ3-CB 4.19Å
88	T	94.4	Very high	81.4	Confident	68 Å²	68	78.2 Å²	78.2	42%	0.417	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.1	176.1	69.3	0	0	0	0	110.3	M25 Y26	M25-T88 WeakPolarHBondContact CE-O 3.31Å; Y26-T88 WeakPolarHBondContact CB-OG1 3.49Å; Y26-T88 PolarHBondContact N-O 2.94Å; Y26-T88 PolarHBondContact O-N 3.47Å
89	R	92.3	Very high	80.8	Confident	114 Å²	114	79 Å²	79	43%	0.43	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.5	177.8	-176.5	-174.2	74.7	168.1	-4.5	109	Y18 Y23 Y24 M25	Y18-R89 HydrophobicContact CE2-CG 4.19Å; Y23-R89 HydrophobicContact CD1-CG 3.74Å; Y23-R89 HydrophobicContact CD2-CG 4.2Å; Y23-R89 VanDerWaalsContact CG-CD 3.44Å; Y23-R89 HydrophobicContact CG-CG 3.5Å; Y23-R89 VanDerWaalsContact CG-CG 3.5Å; Y24-R89 WeakPolarHBondContact O-CA 3.39Å; M25-R89 HydrophobicContact SD-CB 4.26Å
90	G	85.8	Confident	80.2	Confident	9 Å²	9	77.3 Å²	77.3	9%	0.093	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.6	172.7	0	0	0	0	0	111.9	Y24 Y26	Y24-G90 PolarHBondContact N-O 2.61Å; Y24-G90 PolarHBondContact O-N 3.4Å; Y24-G90 VanDerWaalsContact O-N 3.1Å; Y26-G90 VanDerWaalsContact CE2-CA 3.46Å
91	G	67	Low	79.6	Confident	28 Å²	28	73.9 Å²	73.9	29%	0.289	45%	0.448	S	S	.	.			trans	-81.6	163.1	178.5	0	0	0	0	0	112.1	G93	G91-G93 PolarHBondContact O-N 2.9Å
92	Y	56.4	Low	78.8	Confident	141 Å²	141	78.1 Å²	78.1	55%	0.553	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	77.6	167.6	-64.1	-94.6	0	0	0	109.6	S22 Y24 N43	S22-Y92 WeakPolarHBondContact O-CE2 3.08Å; Y24-Y92 HydrophobicContact CD2-CD1 4.31Å; Y24-Y92 HydrophobicContact CD2-CE1 4.16Å; Y24-Y92 AromaticContact CE2-CD1 3.45Å; Y24-Y92 HydrophobicContact CE2-CD1 3.45Å; Y24-Y92 VanDerWaalsContact CE2-CD1 3.45Å; Y24-Y92 AromaticContact CE2-CE1 3.23Å; Y24-Y92 HydrophobicContact CE2-CE1 3.23Å; Y24-Y92 HydrophobicContact CE2-CE2 4.41Å; Y24-Y92 HydrophobicContact CE2-CG 4.12Å; Y24-Y92 AromaticContact CE2-CZ 3.76Å; Y24-Y92 AromaticContact CZ-CE1 3.82Å; N43-Y92 PolarHBondContact ND2-OH 3.4Å; N43-Y92 PolarHBondContact OD1-OH 2.7Å
93	G	51.3	Low	77.7	Confident	67 Å²	67	76.8 Å²	76.8	69%	0.691	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	146.1	5.3	177	0	0	0	0	0	117.6	G91 S95	G91-G93 PolarHBondContact O-N 2.9Å; G93-S95 PolarHBondContact O-N 3.47Å
94	S	42.8	Very low	76.3	Confident	84 Å²	84	80.8 Å²	80.8	59%	0.587	48%	0.478	S	S	*	.			trans	-80.7	90.4	174.1	46.7	0	0	0	0	110.7
95	S	40.1	Very low	74.6	Confident	188 Å²	188	81.3 Å²	81.3	100%	1.315	48%	0.48	S	S	*	.			trans	-67.1	0	149.5	-42.4	0	0	0	0	109.8	G93	G93-S95 PolarHBondContact O-N 3.47Å

Retrieved 95 of 95 residues in 27 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).